2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid

C15H11ClN2O3 — CID 66755223

IUPAC2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1-n1c(=O)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O3/c16-10-5-6-13-11(8-10)17-15(21)18(13)12-4-2-1-3-9(12)7-14(19)20/h1-6,8H,7H2,(H,17,21)(H,19,20)
InChIKeyPRGUGDYTIDKFCP-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.60
Rot. Bonds3

About 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid

2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid (PubChem CID 66755223) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid
PubChem CID66755223
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1-n1c(=O)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O3/c16-10-5-6-13-11(8-10)17-15(21)18(13)12-4-2-1-3-9(12)7-14(19)20/h1-6,8H,7H2,(H,17,21)(H,19,20)
InChIKeyPRGUGDYTIDKFCP-UHFFFAOYSA-N
XLogP2.60
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid (CID 66755223) is 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid is O=C(O)Cc1ccccc1-n1c(=O)[nH]c2cc(Cl)ccc21.
What is the InChIKey of 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid?
The InChIKey is PRGUGDYTIDKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-10-5-6-13-11(8-10)17-15(21)18(13)12-4-2-1-3-9(12)7-14(19)20/h1-6,8H,7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid?
2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid has a molecular weight of 302.72 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 66755223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).